Subset (17)

split_A_formula_split · 21.1k rows

Split (1)

train · 21.1k rows

formula stringlengths 5 17	fold stringclasses 3 values	n_spectra int64 1 627
C18H20IN5O3	train	10
C18H20N2O	train	18
C18H20N2O2	train	60
C18H20N2O2S	train	231
C18H20N2O2S3	train	10
C18H20N2O3	train	235
C18H20N2O3S	train	308
C18H20N2O3S2	train	13
C18H20N2O4	train	104
C18H20N2O4S	train	47
C18H20N2O4S2	train	24
C18H20N2O5	train	16
C18H20N2O5S	train	42
C18H20N2O6	train	53
C18H20N2O9	train	18
C18H20N2OS	train	106
C18H20N2OS2	train	5
C18H20N4	train	8
C18H20N4O	train	178
C18H20N4O2	train	389
C18H20N4O2S	train	74
C18H20N4O2S2	train	16
C18H20N4O3	train	304
C18H20N4O3S	train	40
C18H20N4O4	train	43
C18H20N4O4S2	train	10
C18H20N4O5S	train	18
C18H20N4OS	train	267
C18H20N4OS2	train	8
C18H20N4S	train	15
C18H20N6	train	34
C18H20N6O2	train	41
C18H20N6O3	train	50
C18H20N6OS	train	13
C18H20N6S2	train	18
C18H20N8	train	19
C18H20N8O	train	10
C18H20N8O2	train	5
C18H20O4	train	46
C18H20O5	train	31
C18H20O7	train	5
C18H20O8	train	31
C18H21BrF3N3O2	train	8
C18H21BrN4O2	train	10
C18H21BrN4O4	train	5
C18H21Cl2N3O2S	train	5
C18H21Cl2N3O4S	train	13
C18H21Cl2N5O	train	15
C18H21ClFN3	train	12
C18H21ClFN3O	train	37
C18H21ClN2O2	train	29
C18H21ClN2O2S	train	5
C18H21ClN2O3	train	34
C18H21ClN2O4S	train	22
C18H21ClN2O5S2	train	12
C18H21ClN2OS	train	14
C18H21ClN4O	train	32
C18H21ClN4O2	train	23
C18H21ClN4O2S	train	8
C18H21ClN4O3S	train	38
C18H21ClO8	train	5
C18H21F2N3O	train	29
C18H21F2N5O2	train	13
C18H21F2N5O4S	train	5
C18H21F2N7O	train	7
C18H21F2NO3	train	16
C18H21F3N2O2S	train	8
C18H21F3N2O2S2	train	16
C18H21F3N2O3	train	8
C18H21F3N2O3S	train	10
C18H21F3N4	train	8
C18H21F3N4O	train	59
C18H21F3N4O2S	train	16
C18H21F3N4O3S	train	18
C18H21F3N4O4	train	21
C18H21F3N6O2	train	14
C18H21FN2O	train	16
C18H21FN2O2	train	61
C18H21FN2O4	train	8
C18H21FN4O2	train	81
C18H21FN4O3	train	5
C18H21FN4O3S	train	5
C18H21FN6O	train	19
C18H21FN6O2S	train	5
C18H21N3O	train	42
C18H21N3O2S	train	210
C18H21N3O2S2	train	21
C18H21N3O2S3	train	8
C18H21N3O3	train	397
C18H21N3O3S	train	78
C18H21N3O4	train	233
C18H21N3O5	train	16
C18H21N3O5S	train	35
C18H21N3O5S2	train	10
C18H21N3O6	train	13
C18H21N3OS	train	50
C18H21N3OS2	train	8
C18H21N3S	train	13
C18H21N5O	train	308
C18H21N5O2S	train	107

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